3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-dodecoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-4-lauryloxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)C(C)(C)C.[I-]

InChI

InChI=1S/C30H46N2O2.HI/c1-6-7-8-9-10-11-12-13-14-17-22-34-28-20-19-25(23-27(28)30(2,3)4)29(33)31-24-26-18-15-16-21-32(26)5;/h15-16,18-21,23H,6-14,17,22,24H2,1-5H3;1H